| CAS Number | 1094646-56-6 |
| Catalog Number | AG01AJS4 |
| Chemical Name | 3-Methyl-4-(2,2,2-trifluoroethoxy)aniline |
| IUPAC Name | 3-methyl-4-(2,2,2-trifluoroethoxy)aniline |
| InChI | InChI=1S/C9H10F3NO/c1-6-4-7(13)2-3-8(6)14-5-9(10,11)12/h2-4H,5,13H2,1H3 |
| InChI Key | HPQBTNDTWKOCSA-UHFFFAOYSA-N |
| MDL Number | MFCD11214142 |
| Molecular Formula | C9H10F3NO |
| Molecular Weight | 205.1770 |
| SMILES | CC1=C(C=CC(N)=C1)OCC(F)(F)F |
| Synonyms | 3-methyl-4-(2,2,2-trifluoroethoxy)aniline,
1094646-56-6,
SCHEMBL2565945,
ZINC36950228,
NE15141,
EN300-81820,
A1-07353,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.18g/mol |
| Monoisotopic Mass | 205.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number